4,6-diphenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4,6-diphenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4,6-diphenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylic acid; 2,2,2-trifluoroacetate CAS Name: 4,6-diphenyl-1-(2-pyridinyl)-2-pyridin-1-iumcarboxylic acid; 2,2,2-trifluoroacetate IUPAC Name: 4,6-diphenyl-1-pyridin-2-ylpyridin-1-ium-2-carboxylic acid; 2,2,2-trifluoroacetate Traditional Name: 4,6-diphenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylic acid; 2,2,2-trifluoroacetate Formula: C25H17F3N2O4 MolecularWeight: 466.40869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C(=O)O)C3=CC=CC=N3)C4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C(=O)O)C3=CC=CC=N3)C4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C23H16N2O2.C2HF3O2/c26-23(27)21-16-19(17-9-3-1-4-10-17)15-20(18-11-5-2-6-12-18)25(21)22-13-7-8-14-24-22;3-2(4,5)1(6)7/h1-16H;(H,6,7)